Interaction Scheme
Molecule
NaBArF
c = 0.0 — 5000000.0 µM
Host
c = 5000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1330.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -17.83 | -4.26 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Acetonitrile-d3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. von Delius, R. Brachvogel, H. Maid, SupraBank 2024, NMR Studies on Li+, Na+ and K+ Complexes of Orthoester Cryptand o-Me2-1.1.1 (dataset). https://doi.org/10.34804/supra.20210928203 |
| Link: | https://doi.org/10.34804/supra.20210928203 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
R.-C. Brachvogel, H. Maid, M. von Delius, IJMS 2015, 16, 20641–20656. |
| Link: | https://doi.org/10.3390/ijms160920641 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of NaBArF (0.015037593984962405 M) and o-(CH3)2-1.1.1 (0 — 0.03007518796992481 M).
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